6EHU

The crystal structure of CK2alpha in complex with compound 32

6EHU の概要

• エントリーDOI: 10.2210/pdb6ehu/pdb
• 分子名称: Casein kinase II subunit alpha, 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, ... (4 entities in total)
• 機能のキーワード: ck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : P68400
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 84231.73

構造登録者

Brear, P.,De Fusco, C.,Iegre, J.,Yoshida, M.,Mitchell, S.,Rossmann, M.,Carro, L.,Sore, H.,Hyvonen, M.,Spring, D. (登録日: 2017-09-15, 公開日: 2018-02-28, 最終更新日: 2024-01-17)

• 主引用文献: Iegre, J.,Brear, P.,De Fusco, C.,Yoshida, M.,Mitchell, S.L.,Rossmann, M.,Carro, L.,Sore, H.F.,Hyvonen, M.,Spring, D.R.; Second-generation CK2 alpha inhibitors targeting the alpha D pocket.; Chem Sci, 9:3041-3049, 2018; PubMed: 29732088; DOI: 10.1039/c7sc05122k

実験手法

X-RAY DIFFRACTION (1.95 Å)